(1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol

Details

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Internal ID ed506f52-5a1d-495e-ae20-2bd2cd5b8b21
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol
SMILES (Canonical) CC1=CCC(C(C(C(=C)CC(C1O)O)O)O)C(C)C
SMILES (Isomeric) C/C/1=C/C[C@H]([C@H]([C@@H](C(=C)C[C@H]([C@@H]1O)O)O)O)C(C)C
InChI InChI=1S/C15H26O4/c1-8(2)11-6-5-9(3)13(17)12(16)7-10(4)14(18)15(11)19/h5,8,11-19H,4,6-7H2,1-3H3/b9-5-/t11-,12+,13+,14+,15+/m0/s1
InChI Key PTFYPQCJYOKIDY-BUMDVPOKSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H26O4
Molecular Weight 270.36 g/mol
Exact Mass 270.18310931 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.02% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.53% 98.95%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.49% 90.71%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.57% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.74% 95.89%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.97% 93.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.33% 91.11%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Santolina chamaecyparissus
Santolina insularis

Cross-Links

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PubChem 44583979
LOTUS LTS0196112
wikiData Q105214623